scholarly journals X-ray Crystal Structure and EPR Spectra of “Arsenite-Inhibited”DesulfovibriogigasAldehyde Dehydrogenase:  A Member of the Xanthine Oxidase Family

2004 ◽  
Vol 126 (28) ◽  
pp. 8614-8615 ◽  
Author(s):  
D. Roeland Boer ◽  
Anders Thapper ◽  
Carlos D. Brondino ◽  
Maria J. Romão ◽  
José J. G. Moura
Keyword(s):  
Crystal Structure ◽  
Xanthine Oxidase ◽  
Epr Spectra ◽  
X Ray ◽  
Xanthine Oxidase Family

The Dimeric Structure of Bis(1,3-Dimethylcyclopentadienyl)titanium(III) Chloride

1996 ◽  
Vol 61 (9) ◽  
pp. 1285-1294 ◽  
Author(s):  
Karel Mach ◽  
Vojtech Varga ◽  
Günter Schmid ◽  
Jörg Hiller ◽  
Ulf Thewalt
Keyword(s):  
Crystal Structure ◽  
Triplet State ◽  
Structure Analysis ◽  
Crystal Structure Analysis ◽  
Epr Spectra ◽  
Zero Field ◽  
Zero Field Splitting ◽  
Field Splitting ◽  
X Ray ◽  
Dimeric Structure

The X-ray crystal structure analysis of bis(1,3-dimethylcyclopentadienyl)titanium(III) chloride revealed that it is a centrosymmetric chlorine-bridged dimer [(η5-C5H3Me2)2Ti(μ-Cl)]2 (1) with the Ti-Ti distance of 3.9155(8) Å. Its skeleton is virtually identical with those of the [(η5-C5H5)2Ti(μ-Cl)]2 and [(η5-C5H4Me)2Ti(μ-Cl)]2 dimers. The solution EPR study proved that 1 remains a dimer in toluene whereas it dissociates in 2-methyltetrahydrofuran (MTHF) to give (η5-C5H3Me2)2TiCl . MTHF. The EPR spectra of frozen toluene solutions proved that 1 forms the triplet state whose g-tensor and zero-field splitting D are virtually the same as those of [(η5-C5H5)2Ti(μ-Cl)]2.

Nitridokomplexe von Molybdän(V); Synthesen, IR- und EPR-Spektren. Die Kristallstruktur von [Na(15-Krone-5)Na(THF)]2[MoNCl3 ·THF]4·2THF / Nitrido Complexes of Molybdenum(V); Syntheses, IR, and EPR Spectra. Crystal Structure of [Na(15-Crown-5)Na(THF)]2[MoNCl3·THF]4·2THF

1989 ◽  
Vol 44 (11) ◽  
pp. 1377-1384 ◽  
Author(s):  
Reiner Figge ◽  
Claus Friebel ◽  
Ute Patt-Siebel ◽  
Ulrich Müller ◽  
Kurt Dehnicke
Keyword(s):  
Crystal Structure ◽  
Ir Spectra ◽  
Structure Determination ◽  
Thermal Motion ◽  
The Other ◽  
Epr Spectra ◽  
Space Group ◽  
X Ray ◽  
Nitrido Complexes ◽  
Cl Atoms

The molybdenum nitrido complexes [Na(15-crown-5)][MoNCl3] (1), [Na(15-crown-5)]2[MoNCl4] (2), and [Na(15-crown-5)Na(THF)]2[MoNCl3·THF]4·2THF (3) have been prepared by reactions of MoNCl3 with sodium naphthalide in tetrahydrofurane (THF) in the presence of 15-crown-5. According to the EPR spectra and in agreement with the IR spectra, 1 forms dimeric ions [MoNCl3]22~ via chloro bridges, whereas tetrameric units [MoNCl4]48~ and [MoNCl3 · THF]44~ are present in 2 and 3, respectively. 3 was characterized by an X-ray structure determination: space group P21/c, Z = 2, 1964 observed unique reflexions, R = 0.12. Lattice dimensions at —90 °C: a = 1173(1); b = 2083(3); c = 1750(2) pm; β = 112.3(7)°. The structure consists of an ensemble of associated ions around the central [MoNCl3 ·THF]44~ unit. In the latter, the four Mo atoms form a square and are bridged via linear, asymmetric Mo=N—Mo groups. The (MoN)4 square is enclosed in a cube of eight Cl atoms, the Mo atoms occupying four of the cube edges. Two Na+ ions are situated in the centres of two opposing cube faces, each of the other two Na+ ions is coordinated with two Cl atoms outside of the cube; these Na+ ions are also coordinated with one THF molecule and with one 15-crown-5 molecule, respectively. The crystal also contains non-coordinated THF molecules, which exhibit strong thermal motion and/or disorder.

Über die Reduktion von Alkinkomplexen des Molybdäns und Wolframs in hohen Oxidationsstufen. Die Kristallstruktur von MoCl3(THF)3 / On the Reduction of Alkyne Complexes of Molybdenum and Tungsten in High Oxidation States. The Crystal Structure of MoCl3(THF)3

1989 ◽  
Vol 44 (10) ◽  
pp. 1161-1166 ◽  
Author(s):  
Peter Hofacker ◽  
Claus Friebel ◽  
Kurt Dehnicke ◽  
Petra Bäuml ◽  
Wolfgang Hiller ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Ir Spectroscopy ◽  
Oxidation States ◽  
Epr Spectra ◽  
Space Group ◽  
X Ray ◽  
High Oxidation ◽  
Oxygen Sensitive ◽  
Alkyne Complexes ◽  
Ray Methods

The reduction of the tungsten alkyne complexes [WCl4(RC≡CR)]2 (R = Ph, SiMe3) with cobaltocen in THF solutions leads to the complexes [CoCp2]2[WCl4(RC≡CR)]2 (R = Ph (1); R = SiMe3 (2)), as green, oxygen sensitive crystalline powders. Reduction of [WCl4(Me3SiC=CSiMe3)]2 and of [MoCl4(PhC=CPh)]2 with sodium naphthalide in THF solutions in the presence of 15-crown-5 gives [Na-15-crown-5]3[W2Cl9], and MoCl3(THF)3, respectively. All compounds have been characterized by IR spectroscopy, and 1 and 2, in addition, by their EPR spectra. The crystal structure of MoCl3(THF)3 was determined by X-ray methods. Space group P21/c, Z = 4, 2642 observed unique reflexions, R = 0.050. Lattice dimensions at 20 °C: a = 888.4(2), b = 1281.5(3), c = 1535.2(3) pm, β = 92.17(2)°. The compound forms monomeric octahedral molecules with a meridional arrangement of the ligands.

X-ray Crystal Structure of a Xanthine Oxidase Complex with the Flavonoid Inhibitor Quercetin

2014 ◽  
Vol 77 (7) ◽  
pp. 1693-1699 ◽  
Author(s):  
Hongnan Cao ◽  
James M. Pauff ◽  
Russ Hille
Keyword(s):  
Crystal Structure ◽  
Xanthine Oxidase ◽  
X Ray

scholarly journals EPR-Spektren von Tetrachlorocupraten verschiedener Aminothiazoliumderivate. Die Kristallstrukturen von 2-Amino-2-thiazolinium-und 2-Amino-4-methylthiazoliumtetrachlorocuprat(II) / EPR Spectra of Tetrachlorocuprates of Several Aminothiazolium Derivatives. The Crystal Structures of 2-Amino-2-thiazolinium and 2-Amino-4-methylthiazolium Tetrachlorocuprate(II)

1987 ◽  
Vol 42 (1) ◽  
pp. 15-22 ◽  
Author(s):  
Vicente Fernández ◽  
Moisés Morán ◽  
Juan Carlos Doadrio ◽  
Elke Conradi ◽  
Wolfgang Willing ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Epr Spectra ◽  
Monoclinic Space Group ◽  
Crystal Data ◽  
Amino Groups ◽  
X Ray ◽  
Structure Determinations ◽  
Frozen Solutions ◽  
Heterocyclic Cations ◽  
Heterocyclic Bases

The tetrachlorocuprates. of the 2-aminothiazolium ion and of four of its substitution products, of 2-aminothiazolinium, and of 2-amino-4-carboxyl-thiazolidinium ions were prepared from the cor-responding heterocyclic bases, hydrochloric acid and copper(II) chloride in ethanol. The thermo-chromic compounds were characterized by their IR and electronic spectra. The EPR spectra of solutions, frozen solutions, and of the solids show the CuCl42- ion to have the structure of a flattened tetrahedron; in the case of some of the solids, distortions from D2d symmetry are observed. This was confirmed by two X-ray crystal structure determinations. Crystal data: 2-amino-2-thiazolinium tetrachlorocuprate, monoclinic, space group C2/c, a = 2772.8, b = 780.0, c = 1560.0 pm, β = 112.04°, Z = 8 (R = 0.047 for 2527 observed, independent reflexions); 2-amino-4-methylthiazolium tetrachlorocuprate, triclinic. P1̄, a = 780.4, b = 853.4, c - 1381.4 pm, α = 103.50, β = 99.39, γ = 104.17°, Z = 2 (R = 0.041 for 3319 reflexions). In both compounds the flattened CuCl42- tetrahedron is distorted and has two bond angles in the range between 130 and 141°. The heterocyclic cations are protonated at their ring N atoms; the corresponding H atoms and the H atoms of the amino groups are involved in N−H···Cl hydrogen bonding.

A study on α-RuCl3 crystal structure by scanning tunneling microscopy

1989 ◽  
Vol 47 ◽  
pp. 30-31
Author(s):  
H.-J. Cantow ◽  
H. Hillebrecht ◽  
S. Magonov ◽  
H. W. Rotter ◽  
G. Thiele
Keyword(s):  
Crystal Structure ◽  
Density Distribution ◽  
Scanning Tunneling Microscopy ◽  
Electron Density ◽  
Structure Determination ◽  
Electron Density Distribution ◽  
Scanning Tunneling ◽  
Monoclinic Space Group ◽  
Tunneling Microscopy ◽  
X Ray

From X-ray analysis, the conclusions are drawn from averaged molecular informations. Thus, limitations are caused when analyzing systems whose symmetry is reduced due to interatomic interactions. In contrast, scanning tunneling microscopy (STM) directly images atomic scale surface electron density distribution, with a resolution up to fractions of Angstrom units. The crucial point is the correlation between the electron density distribution and the localization of individual atoms, which is reasonable in many cases. Thus, the use of STM images for crystal structure determination may be permitted. We tried to apply RuCl3 - a layered material with semiconductive properties - for such STM studies. From the X-ray analysis it has been assumed that α-form of this compound crystallizes in the monoclinic space group C2/m (AICI3 type). The chlorine atoms form an almost undistorted cubic closed package while Ru occupies 2/3 of the octahedral holes in every second layer building up a plane hexagon net (graphite net). Idealizing the arrangement of the chlorines a hexagonal symmetry would be expected. X-ray structure determination of isotypic compounds e.g. IrBr3 leads only to averaged positions of the metal atoms as there exist extended stacking faults of the metal layers.

X-ray Crystal Structure of ?9-THC-tosylate

Planta Medica ◽  
2008 ◽  
Vol 74 (03) ◽  
Author(s):  
W Gul ◽  
P Carvalho ◽  
D Slade ◽  
M Avery ◽  
JR Duchek ◽  
...  
Keyword(s):  
Crystal Structure ◽  
X Ray

Crystal structure of an inclusion complex between chiral monoaza-15-crown-5 and S(–)-1-phenyl-ethyl ammonium percholorate

2003 ◽  
Vol 218 (5) ◽  
Author(s):  
Süheyla Özbey ◽  
F. B. Kaynak ◽  
M. Toğrul ◽  
N. Demirel ◽  
H. Hoşgören
Keyword(s):  
Crystal Structure ◽  
Inclusion Complex ◽  
Single Crystal ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
New Type

AbstractA new type of inclusion complex, S(–)-1 phenyl ethyl ammonium percholorate complex of R-(–)-2-ethyl - N - benzyl - 4, 7, 10, 13 - tetraoxa -1- azacyclopentadecane, has been prepared and studied by NMR, IR and single crystal X-ray diffraction techniques. The compound crystallizes in space group

Sign in / Sign up

Export Citation Format

Share Document